N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide

C26H35N3O2 — CID 57099013

IUPACN-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide
SMILESCCCCCCCCCCCCOc1ccc2nc(NC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C26H35N3O2/c1-2-3-4-5-6-7-8-9-10-14-19-31-22-17-18-23-24(20-22)28-26(27-23)29-25(30)21-15-12-11-13-16-21/h11-13,15-18,20H,2-10,14,19H2,1H3,(H2,27,28,29,30)
InChIKeyKYKHUTTZBMLNAO-UHFFFAOYSA-N
MW421.59 g/mol
LogP7.11
Rot. Bonds14

About N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide

N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide (PubChem CID 57099013) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide
PubChem CID57099013
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC NameN-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide
SMILESCCCCCCCCCCCCOc1ccc2nc(NC(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C26H35N3O2/c1-2-3-4-5-6-7-8-9-10-14-19-31-22-17-18-23-24(20-22)28-26(27-23)29-25(30)21-15-12-11-13-16-21/h11-13,15-18,20H,2-10,14,19H2,1H3,(H2,27,28,29,30)
InChIKeyKYKHUTTZBMLNAO-UHFFFAOYSA-N
XLogP7.11
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 57.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
CID 18207711
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
3-butoxy-N-(4-heptoxyphenyl)benzamide
CID 4956588
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-[6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-yl]benzamide
CID 166431499
heptyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
CID 163361753
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971

Frequently Asked Questions

What is the IUPAC name of N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide (CID 57099013) is N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide is CCCCCCCCCCCCOc1ccc2nc(NC(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide?
The InChIKey is KYKHUTTZBMLNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-2-3-4-5-6-7-8-9-10-14-19-31-22-17-18-23-24(20-22)28-26(27-23)29-25(30)21-15-12-11-13-16-21/h11-13,15-18,20H,2-10,14,19H2,1H3,(H2,27,28,29,30).
What are the key properties of N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide?
N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide has a molecular weight of 421.59 g/mol, XLogP of 7.11, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 57099013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).